A Novel Potential Therapeutic Avenue for Autism: Design, Synthesis and Pharmacophore Generation of SSRIs with Dual Action

Title
A Novel Potential Therapeutic Avenue for Autism: Design, Synthesis and Pharmacophore Generation of SSRIs with Dual Action
Authors
Ola M. GhoneimaDiaa A. IbrahimIbrahim M. El-Deeb이소하Raymond G. Booth
Keywords
Autism; Selective Serotonin Reuptake Inhibitors; Pharmacophore; SSRIs
Issue Date
2011-11
Publisher
Bioorganic & medicinal chemistry letters
Citation
VOL 21, NO 22, 6714-6723
Abstract
Autism symptoms are currently modulated by Selective Serotonin Reuptake Inhibitors (SSRIs). SSRIs slow onset of action limits their efficiency. The established synergistic activity of SSRIs and 5HT1B/1D autoreceptors antagonists motivated us to incorporate SSRIs and 5HT1B/1D antagonists in one ‘hybrid’ molecule. A library of virtual ‘hybrid’ molecules was designed using the tethering technique. A pharmacophore model was generated derived from 16 structurally diverse SSRIs (Ki = 0.013–5000 nM) and used as 3D query. Compounds with fit values (≥2) were chosen for synthesis and subsequent in vitro biological evaluation. Our pharmacophore model is a promising milestone to a class of SSRIs with dual action.
URI
http://pubs.kist.re.kr/handle/201004/40480
ISSN
0960-894X
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KIST Publication > Article
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